The Oxyfluorfen, with the CAS registry number 42874-03-3 and EINECS registry number 255-983-0, has the systematic name of 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene. And the molecular formula of this chemical is C₁₅H₁₁ClF₃NO₄. It is a kind of orange crystalline solid, and belongs to the following product categories: Herbicide; Alpha sort; Alphabetic; Diphenyl ether Pesticides & Metabolites; Herbicides; N-PAnalytical Standards; O; Pesticides & Metabolites; Diphenyl etherAnalytical Standards.

The physical properties of Oxyfluorfen are as following: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 1159.89; (6)ACD/BCF (pH 7.4): 1159.89; (7)ACD/KOC (pH 5.5): 5433.87; (8)ACD/KOC (pH 7.4): 5433.87; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.28 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 80.42 cm³; (15)Molar Volume: 257.8 cm³; (16)Polarizability: 31.88×10^-24cm³; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.402 g/cm³; (19)Flash Point: 187.9 °C; (20)Enthalpy of Vaporization: 61.13 kJ/mol; (21)Boiling Point: 387.1 °C at 760 mmHg; (22)Vapour Pressure: 7.5E-06 mmHg at 25°C.

Preparation and uses of Oxyfluorfen: It can start from the reaction between  3,4-dichloro benzotrifluoride and resorcinol salt(mixture ratio 1: 4) in the temperature of 140-160°C. Acylate the result with acetic anhydride, and then nitrify with mixed acid in the temperature of 20-30°C. Saponify with inorganic acid, and react with equimolar bromethyl. Then you can get the Oxyfluorfen. What's more, it is used as low toxic and tag-type herbicides.

You should be cautious while dealing with this chemical. It is a highly flammable chemical which irritates skin. It is very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. What's more, it may cause lung damage if swallowed, and its vapors may cause drowsiness and dizziness. Therefore, you had better take the following instructions: This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet; If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2Oc1ccc([N+]([O-])=O)c(OCC)c1)C(F)(F)F
(2)InChI: InChI=1/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3
(3)InChIKey: OQMBBFQZGJFLBU-UHFFFAOYAP

The toxicity data is as follows: